CID 73827

Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate

Structural Information

Molecular Formula
C6H7ClN4O2
SMILES
COC(=O)C1=C(N=C(C(=N1)Cl)N)N
InChI
InChI=1S/C6H7ClN4O2/c1-13-6(12)2-4(8)11-5(9)3(7)10-2/h1H3,(H4,8,9,11)
InChIKey
KOOBYHRLTYIPTH-UHFFFAOYSA-N
Compound name
methyl 3,5-diamino-6-chloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

309
Patents

202.02576 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.033036 139.5
[M+Na]+ 225.014978 150.0
[M-H]- 201.018484 140.6
[M+NH4]+ 220.059583 156.3
[M+K]+ 240.988918 146.8
[M+H-H2O]+ 185.023020 133.1
[M+HCOO]- 247.023961 158.3
[M+CH3COO]- 261.039611 187.2
[M+Na-2H]- 223.000426 144.0
[M]+ 202.02521142 140.3
[M]- 202.02630858 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe